Codemaster67/Unichem_1M_tokens
Updated • 71
text stringlengths 7 1.26k | source stringclasses 1
value | num_tokens int64 5 682 |
|---|---|---|
Cc1ccc(Br)cc1N=C(O)N1CCC(CN2CCCCC2)C1 | unichem_smiles | 27 |
COc1ccc(C2(C(O)=Nc3ccccc3)CC2)cc1F | unichem_smiles | 25 |
COc1cc(Cl)c(C(N=[N+]=[N-])c2ccccc2)c(Br)c1 | unichem_smiles | 32 |
O=C(CCc1nc(-c2ccoc2)no1)n1ccc(=NCC(F)(F)F)cc1 | unichem_smiles | 34 |
CCCCCCC(O)=NCc1cccc(S(N)(=O)=O)c1 | unichem_smiles | 21 |
O=C(O)CCSSCCN=C(O)CCn1nc(O)c2ccccc2c1=O | unichem_smiles | 31 |
N#Cc1ccc(Oc2c(F)ccc(F)c2F)cc1 | unichem_smiles | 24 |
C=C(C)CN(CI)C1=C(C)CC(C)CC1 | unichem_smiles | 23 |
CCCC(=O)N1CCCC(C(O)=NC2CCOC2)C1 | unichem_smiles | 21 |
Cc1ccc2c(c1)N(Cc1nnc(-c3ccc(C#N)cc3)o1)CCC2 | unichem_smiles | 34 |
COC(=O)CCc1c(O[C@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]2O)cc2occc2c1OC | unichem_smiles | 53 |
CCOc1ccc(N2CCCCS2(=O)=O)cc1S(=O)(=O)NCCc1ccccc1 | unichem_smiles | 34 |
CCOC(=O)c1c(C)cc(C(C)CC=O)nc1C | unichem_smiles | 25 |
COc1ccc([N+](=O)[O-])cc1CN=C(O)C1CCc2[nH]nc(C(F)(F)F)c2C1 | unichem_smiles | 45 |
C=C/C(=C\C(O)=C(/C)O)C(O)CNC | unichem_smiles | 25 |
OCc1cccc(I)c1C1CC1 | unichem_smiles | 13 |
O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCC(C(O)=Nc2ccc3c(c2)OCO3)CC1 | unichem_smiles | 45 |
CCCN=c1cc(C(O)=Nc2ccc(Br)cn2)c(Cl)c[nH]1 | unichem_smiles | 31 |
CC(C)(C)CN=C(O)CCc1ccc(S(=O)(=O)Cl)cc1 | unichem_smiles | 29 |
CCCCCOc1csc(-c2sccc2OCCCCC)c1 | unichem_smiles | 18 |
Cc1cc(N2CCNC[C@H]2C)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1.Cl | unichem_smiles | 41 |
COc1ccc(OCCNCCN2CCOCC2)cc1 | unichem_smiles | 18 |
Cc1ccc(SCC/C(=N/OC(=O)C(C)(C)C)C(=O)c2ccc(Sc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1 | unichem_smiles | 58 |
CCCC(Br)(CN)[N+](=O)[O-] | unichem_smiles | 15 |
COCCC1(CN=C(O)NC2CCN(CC(F)(F)F)CC2)CCCC1 | unichem_smiles | 28 |
OCCN1CCN(c2ccc(Nc3ncc(Cl)c(=Nc4ccccc4N=C(O)C4CC4)[nH]3)cc2)CC1 | unichem_smiles | 49 |
COCOC[C@@H](c1ccccc1)N1CCC(=O)C[C@H]1C#N | unichem_smiles | 31 |
CCC(=O)CCC1Cc2cc(OC)ccc2C1=O | unichem_smiles | 20 |
Cc1cncc2ccc(S(=O)(=O)N[C@H](C)CNCC(O)c3ccsc3)cc12 | unichem_smiles | 37 |
CCCNC1CC(c2cccnc2)NN1 | unichem_smiles | 13 |
O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(S(=O)(=O)c2ccncc2)C1 | unichem_smiles | 43 |
CC/C=C(C)\C(C#N)=C(/C)Cc1cc(O)c(O)c(C=O)c1 | unichem_smiles | 37 |
COC(=O)C(F)Cc1cccc(N=C(O)C2NCCOc3ccccc32)c1.Cl | unichem_smiles | 36 |
COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc4ccccc4n3)CC2)s1 | unichem_smiles | 37 |
CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)N(CC(=O)OC)C2CCS(=O)(=O)C2)cc1 | unichem_smiles | 51 |
Cc1ccc([N+](=O)[O-])c(N(CCO)C2CCCCC2)n1 | unichem_smiles | 29 |
CN=C(NCc1cc(Br)ccc1OC)NC1CCN(c2ccccc2)C1 | unichem_smiles | 28 |
CN(C)c1ccc(C=Nc2ccc3c(c2)C(=O)c2ccc(N=Cc4ccc(C=Nc5ccc([S-])cc5)cc4)cc2C3=O)c2ccccc12 | unichem_smiles | 64 |
CC[C@H]1OC(=O)[C@H](C)[C@@H](O)[C@H](C)[C@H](OC2O[C@H](C)C[C@H](N(C)C(C)=O)[C@@H]2O)C(C)(OC)C[C@H](C)C(N=O)[C@H](C)[C@@H](O)[C@]1(C)O | unichem_smiles | 107 |
CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CN1C(=O)C(C)(c2ccsc2)N=C1O | unichem_smiles | 45 |
COc1cc(S(=O)(=O)N2CCOCC2)cc(C(O)=NC(C)CCCC(C)C)c1OC | unichem_smiles | 39 |
Cc1nc2ccc(N(C)c3cc[nH]c(=N)c3)cc2c(=O)n1C(c1ccccc1)c1ccccc1 | unichem_smiles | 48 |
COC(=O)C1=C(C)c2c(O)cccc2OC1 | unichem_smiles | 23 |
[N-]=[N+]=Nc1ccc(N)cc1-c1nnc(-c2ccccc2)o1 | unichem_smiles | 31 |
CCOc1cccc(CNC(O)=NCc2ccc(C(=O)NC3CC3)cc2)c1 | unichem_smiles | 31 |
CC(C)OC(=O)CC(N=C(O)C[C@@H]1CCC[C@H]1N)c1ccccc1.Cl | unichem_smiles | 40 |
NC1(c2ccc(Br)cc2)CC1C1CCC1 | unichem_smiles | 18 |
COc1cc(CC(O)=NCC2(C(=O)O)CCCCC2)ccc1C | unichem_smiles | 27 |
O=C(O)CCC(CCC(=O)O)(CCC(=O)O)N=C(O)CCC(CCCNC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)(CCC(O)=NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)N=C(O)C12CC3CC(C1)CC(C(O)=NC(CCC(O)=NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)(CCC(O)=NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)CCC(O)=NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O)(C3)C2 | unichem_smiles | 190 |
CC[C@@H]1CCN(C(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c2ccc3ccc(OC)cc3c2)[C@@H](C(=O)O)C1 | unichem_smiles | 61 |
CCOC(=O)C(C#N)C(=O)c1ccccn1 | unichem_smiles | 22 |
CNCc1cn(S(=O)(=O)c2cccc(C)c2)c2cc(Nc3ccc(C)cc3F)ccc12 | unichem_smiles | 40 |
CN(Cc1ccc(Br)s1)C(=O)Cc1ccc(S(N)(=O)=O)cc1 | unichem_smiles | 33 |
COC(=O)c1ccc(-c2cnn(C3CCN(C(=O)OC(C)(C)C)CC3)c2)cc1O | unichem_smiles | 42 |
C[C@@H]1[C@@H]([Si](C)(C)O)[C@H](CCO)O[C@@]12C(=O)N(C)c1ccc(N=C(O)C3CCCNC3)cc12 | unichem_smiles | 61 |
COC(=O)[C@@H](N=C(O)[C@@H]1C[C@@H]1c1ccco1)C(C)C | unichem_smiles | 39 |
CCc1ccc2[nH]cc([C@@H](CN)N(C)C)c2c1 | unichem_smiles | 27 |
CON=C(C(=O)OC)c1ccccc1COc1cccc(Oc2ccc(Cl)nn2)c1 | unichem_smiles | 33 |
OCc1cc(-c2ccc(Cl)c(Cl)c2)ncc1C(F)(F)F | unichem_smiles | 28 |
N#CCC(N=C=O)C(=O)O | unichem_smiles | 16 |
OC(=NCCCN1CCC(O)CC1)C1CCCN(Cc2cccc(F)c2)C1 | unichem_smiles | 31 |
CC1(CO)C(O)CCC2(C)C(CC(O)=NCc3ccc4c(c3)OCO4)c3nc(N=C(O)COc4ccccc4)sc3CC12 | unichem_smiles | 55 |
CCN(Cc1cccc(C)n1)c1ccc(CO)cc1 | unichem_smiles | 21 |
OC(=Nc1cnn(-c2ccccc2)c1C(F)(F)F)N1CC2CCCC21 | unichem_smiles | 31 |
COc1ccccc1N1CCN([C@@H]2CCCN(Cc3cnn(C)c3)C2)CC1 | unichem_smiles | 35 |
O=[N+]([O-])c1ccc(NN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[N+](=O)[O-])cc1 | unichem_smiles | 52 |
CCC(N)CC(O)=Nc1ccccc1Cn1cccn1 | unichem_smiles | 20 |
CC/C=C\C/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](CO/C=C\CCCCCCCCCCCCCCCCCCCCCC)COP(=O)(O)OCCN=C([O-])CCCCCCC/C=C\CCCCCCCC | unichem_smiles | 74 |
CC(=O)c1ccccc1N=C(O)c1ccnc(OC2CCOC2)c1 | unichem_smiles | 29 |
CC(C)(C)OC(=O)/C=C/CCCSc1nnnn1-c1ccccc1 | unichem_smiles | 27 |
CN(C)CC(F)C1CCN(C(=O)OC(C)(C)C)CC1 | unichem_smiles | 28 |
CCCCCCC(C)N1CCCNC2(CCCCC2)C1 | unichem_smiles | 17 |
[N-]=[N+]=NC1OC12CC2 | unichem_smiles | 14 |
COc1ccc(S(=O)(=O)N[C@@H](c2nc3ccc(Br)c(O)c3[nH]2)[C@H](C)O)cc1 | unichem_smiles | 49 |
Oc1ccc2c(c1)CN(Cc1ccc(Cl)cc1)CC2 | unichem_smiles | 24 |
CCCCCCCCCCCCC(=O)O[C@@H](COP=O)COC(=O)CCCCCCCCCCS | unichem_smiles | 28 |
CCOC(CCNC(=NC)NCC(O)=Nc1cccc(CC)c1)C(C)C | unichem_smiles | 29 |
C=C(C)[C@]12C[C@H](C)[C@@]34O[C@](C=CC=CCCCCCCCCC)(O[C@@H]1[C@@H]3[C@@H]1O[C@]1(CO)[C@H](O)[C@]1(O)C(=O)C(C)=C[C@@H]14)O2 | unichem_smiles | 95 |
NCc1n[nH]c(=NC2CCOC2)o1 | unichem_smiles | 19 |
O=C(O)NN1NC=CS1 | unichem_smiles | 12 |
COc1ccc(N=C(O)c2ccc3c(c2)N=C(O)CCS3)cc1Cl | unichem_smiles | 33 |
CCCC1(C2CCC(C(=O)Oc3ccc(F)cc3)CC2)CC[Si](c2ccccc2)CC1 | unichem_smiles | 37 |
Cc1[nH]c2ccccc2c1CN(C)C(=O)C(N)CO | unichem_smiles | 28 |
C#CCN(c1ccc(C(=O)CC(CCC(=O)CC(CCC(=O)O)C(=O)O)C(=O)O)cc1)C1CCC2CC3NC(N)N=C(O)C3CC21 | unichem_smiles | 67 |
Cc1nc(SCCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)[nH]c1C | unichem_smiles | 47 |
CC(CN1CCN(C)CC1)OC(=O)c1ccccc1I.Cl | unichem_smiles | 25 |
Cc1c(C(=O)N2CCNC[C@H]2C)sc2nc3n(c(=O)c12)CCCCC3.Cl | unichem_smiles | 41 |
CCCN=c1[nH]c(N(CCC)C2CC2)c(F)cc1F | unichem_smiles | 27 |
O=c1nc(-c2ccncc2)[nH]cc1C(O)=NCCN=C(O)c1ccccc1Cl | unichem_smiles | 36 |
O=C(c1cccc([N+](=O)[O-])c1O)N1CCC(OC2CCCC2)CC1 | unichem_smiles | 32 |
CCOc1ccc(CN(C[C@@H](O)COc2ccccc2)[C@@H]2CCS(=O)(=O)C2)cc1 | unichem_smiles | 42 |
O=C(NCCc1nnc2ccccn12)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 | unichem_smiles | 35 |
CS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(C(O)=Nc3cccc(Cl)c3Cl)CC2)c1 | unichem_smiles | 44 |
CCN1CCCC1CNCCc1ccsc1 | unichem_smiles | 12 |
O=C(NC1CCc2n[nH]cc2C1)c1ccc(OC(F)(F)F)cc1 | unichem_smiles | 33 |
CCNS(=O)(=O)CCNS(=O)(=O)C(CC)CN | unichem_smiles | 23 |
COc1ccc(N2CC2(C(F)(F)F)C(F)(F)F)cc1 | unichem_smiles | 28 |
COC[C@@H]1CCN(C(=O)[C@H](C)Cl)C1 | unichem_smiles | 26 |
CCN=C(NCc1cnc(CC(C)C)s1)NCc1cc2c(cc1OC(F)F)OCO2 | unichem_smiles | 38 |
COc1ccc(CC(C)C(=O)N2CC(=O)N(C)C2)cc1OC | unichem_smiles | 31 |
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